init_defaults_preparse.cpp

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/* This file is part of Cloudy and is copyright (C)1978-2013 by Gary J. Ferland and
 * others.  For conditions of distribution and use see copyright notice in license.txt */
/*InitDefaultsPreparse initialization at start of simulation, called from cloudy
* before parser, sets initial values of quantities changed by parser 
* called for each point in a grid but one time in multi-iteration sims */
#include "cddefines.h" 
#include "physconst.h"
#include "phycon.h"
#include "radius.h"
#include "trace.h"
#include "dynamics.h"
#include "geometry.h"
#include "noexec.h"
#include "rfield.h"
#include "opacity.h"
#include "stopcalc.h"
#include "atomfeii.h"
#include "plot.h"
#include "rt.h"
#include "fudgec.h"
#include "abund.h"
#include "h2.h"
#include "ionbal.h"
#include "hextra.h"
#include "wind.h"
#include "atmdat.h"
#include "pressure.h"
#include "thermal.h"
#include "continuum.h"
#include "optimize.h"
#include "save.h"
#include "dense.h"
#include "hcmap.h"
#include "prt.h"
#include "init.h" 
#include "taulines.h"
#include "lines_service.h"
#include "grid.h"

/*InitDefaultsPreparse initialization at start of simulation, called from cloudy
 * before parser, will now be called one time per sim in grid but long term
 * goal is to call parser only one time in a grid.  This would be called 
 * first to set defaults that may be changed by the parser.  This routine
 * should only set defaults for variables that change in the parser.
 * It does not initialize variables for the start of a calculation.  That
 * is done by InitSimPostparse 
 * called one time in multi iteration sim */
void InitDefaultsPreparse( void )
{
        long int i, 
                ipISO,
                nelem;

        DEBUG_ENTRY( "InitDefaultsPreparse()" );

        /* init vars before parsing commands for each sim */

        /* option to turn off collisional ionization with "no collisional ionization" cmmnd */
        atmdat.lgCollIonOn = true;

        // default, Chianti not on, but if on use hybrid, do not print
        atmdat.lgChiantiOn = true;
        atmdat.lgChiantiHybrid = true;
        atmdat.lgChiantiPrint = false;
        //Use gbar to fill in dBase transitions if they lack collision strengths
        atmdat.lgGbarOn = true;
        //Tells Cloudy to exclusively use experimental energies in Chianti.
        atmdat.lgChiantiExp = true;
        // Set the default number of Chianti energy levels to use for Fe for photoionization case
        atmdat.nChiantiMaxLevelsFe = atmdat.nChiantiPhotoLevelsFe;
        // Set the default number of Chianti energy levels to use for all other elements
        atmdat.nChiantiMaxLevels = atmdat.nChiantiPhotoLevels;
        // ChiantiLevelsSet is false until the user specifies the number of chianti levels to use.
        atmdat.lgChiantiLevelsSet = false;
        /* nChiantiMaxLevelsFe and nChiantiMaxLevels are defaulted to 100 and 50 respectively if
         * the coronal command is used. See parse_coronal.cpp */
        /* Set the default number Stout max levels
         * For now use the default Chianti Fe levels = 100 */
        atmdat.nStoutMaxLevels = atmdat.nChiantiMaxLevelsFe;

        /* Stout on by default, optional printout off */
        atmdat.lgStoutOn = true;
        atmdat.lgStoutPrint = false;
        atmdat.lgStoutHybrid = true;

        // By default use Dima (Voronov97) data for collisional ionization rate coefficients
        // possible options are DIMA or HYBRID
        atmdat.CIRCData = t_atmdat::HYBRID;

        atmdat.collstrDefault = 0.01;

        atmdat.lgLamdaOn = true;
#       ifdef USE_CDMS
        atmdat.lgCalpgmOn = true;
#       else
        atmdat.lgCalpgmOn = false;
#       endif
        strcpy(atmdat.chCloudyChiantiFile, "CloudyChianti.ini");
        strcpy(atmdat.chStoutFile, "Stout.ini");

        /* drChange was reset to get orion flux in h-beta correct
         * drChange is really tau of current zone */
        radius.drChange = 0.15f;

        radius.glbdst = 0.;
        radius.glbrad = 0.;

        // energy conservation check is slow, turn on with set check energy every zone
        continuum.lgCheckEnergyEveryZone = false;

        /* option to read in all input quantities and NOT execute the actual model
        * only check on input parameters - set by calling cdNoExec */
        noexec.lgNoExec = false;

        /* constant for the extinguish command */
        rfield.ExtinguishColumnDensity = 0.;
        rfield.ExtinguishLeakage = 0.;
        rfield.ExtinguishLowEnergyLimit = 1.;

        /* parameters having to do with thermal map */
        hcmap.RangeMap[0] = 10.f;
        hcmap.RangeMap[1] = .99e10f;
        /* zone where map is to be done */
        hcmap.MapZone = -1;
        hcmap.nMapStep = 20;

        thermal.ConstGrainTemp = 0.;
        thermal.lgTemperatureConstant = false;
        thermal.lgTemperatureConstantCommandParsed = false;
        thermal.ConstTemp = 0.;
        thermal.lgTeHigh = false;
        thermal.lgTeBD96 = false;
        thermal.lgTLaw = false;
        thermal.lgTeSN99 = false;
        /* try toe predict next zone's temperature in constant density models,
        * as done in ZoneStart.  Turned off with no tepred command */
        thermal.lgPredNextTe = true;

        /* turbulent heating - set with hextra command */
        hextra.TurbHeat = 0.;
        /* set true with TIME option on hextra command for time dependent sims */
        hextra.lgTurbHeatVaryTime = false;
        /* options for for extra heating to depend on scale radius */
        hextra.lgHextraDepth = false;
        /* options for for extra heating to depend on density */
        hextra.lgHextraDensity = false;
        /* options for alpha disk model heating */
        hextra.lgHextraSS = false;

        /* options set by cosmic ray command */
        hextra.cryden = 0.;
        hextra.cryden_ov_background = 0.;
        hextra.lg_CR_B_equipartition = false;
        hextra.crtemp = 0.;
        hextra.crpowr = 0.;
        hextra.cr_energydensity = 0;

        /* set with coronal equilibrium init time command */
        dynamics.lg_coronal_time_init = false;
        dynamics.lgTracePrint = false;

        /* parameters to do with wind */
        wind.lgWindOK = true;
        wind.DiskRadius = 0;
        wind.lgDisk = false;
        wind.windv0 = 0.;
        wind.setStatic();
        wind.comass = 0.;
        wind.windv = 0.;
        wind.dvdr = 0.;
        wind.emdot = 0.;
        wind.AccelAver = 0.;
        wind.acldr = 0.;
        wind.AccelGravity = 0.;
        wind.AccelTotalOutward = 0.;
        wind.AccelCont = 0.;
        wind.AccelElectron = 0.;
        wind.AccelLine = 0.;
        wind.AccelMax = 0.;
        wind.fmul = 0.;
        wind.lgVelPos = true;

        /* argument on ELEMENT LIMIT OFF XXX command, lowest abundance 
         * element to include in the calculation */
        dense.AbundanceLimit = 0.;

        /* controls density fluctuations, when true variations are due to density changing,
        * when false are due to abundances changing if changes are on */
        dense.lgDenFlucOn = true;
        dense.lgDenFlucRadius = true;
        dense.flong = 0.;
        dense.flcPhase = 0.;

        /* this says keep initial density constant, 
        * so pressure from iter to iter not really const */
        dense.lgDenseInitConstant = true;

        // pressure does not vary with time by default
        dense.lgPressureVaryTime = false;
        //  required number is timescale for time variation
        dense.PressureVaryTimeTimescale = -1.;
        //  optional number is index for time variation
        dense.PressureVaryTimeIndex = 0.;

        /* extra electron density, set with eden command */
        dense.EdenExtra = 0.;

        /* forced electron density, set with set eden command */
        dense.EdenSet = 0.;

        /* option to set electron fraction, n_e/n_H */
        dense.EdenFraction = 0.;

        /* individual terms for the pressure equation of state */
        /* >>chng 05 jan 01, all three are set true at start *
        * code default is constant density, so all this is ignored
        * is turned to constant pressure then these flags must be adjusted so
        * that we get the pressure we expect.  with all true, all three
        * contributors to pressure will be counted - with constant gas pressure
        * these are turned off */
        pressure.lgPres_radiation_ON = true;
        pressure.lgPres_magnetic_ON = true;
        pressure.lgPres_ram_ON = true;
        /* flag for constant pressure, include continuum too */
        pressure.lgContRadPresOn = true;
        /* constant density is the default */
        strcpy( dense.chDenseLaw, "CDEN" );
        /* number on line is log of nT - option to specify initial pressure */
        pressure.lgPressureInitialSpecified = false;
        /* this is log of nT product - if not present then set zero */
        pressure.PressureInitialSpecified = 0;

        /* select certain atomic data, changed with set atomic data command 
        * this says to use Zeippen 1982 [OII] transition probabilities */
        dense.lgAsChoose[ipOXYGEN][1] = false;

        abund.lgAbnSolar = false;

        /* the ipSolar array is a set of pointers used for reading
        * in abundances with the "abundances" command
        * the hydrogen abundance of unity is not read in */
        abund.npSolar = LIMELM - 1;
        for( i=0; i < abund.npSolar; i++ )
        {
                abund.ipSolar[i] = i + 2;
        }

        /* option to turn off an element */
        for( nelem=0; nelem < LIMELM; nelem++ )
        {
                /* set of scale factors for changing abundances with elements command */
                abund.ScaleElement[nelem] = 1.;
                abund.solar[nelem] = abund.SolarSave[nelem];

                // default scale factors for SET DIELECTRONIC RECOMBINATION KLUDGE SCALE
                ionbal.DR_mean_scale[nelem] = 1.;
        }

        abund.lgAbTaON = false;

        /* option to turn off an element */
        for( nelem=0; nelem < LIMELM; nelem++ )
        {
                /* option to have abundances from table */
                abund.lgAbunTabl[nelem] = false;
        }

        /* threshold for faintest heating cooling to save with save heating or 
         * save cooling commands, reset with PUNCH WEAKHEATCOOL command */
        save.WeakHeatCool = 0.05f;

        /* set of variables used to control save command */
        save.nsave = 0;
        save.lgPunContinuum = false;
        save.lgDRPLst = false;
        save.lgDRHash = true;
        save.lgTraceConvergeBaseHash = true;
        /* this is the string that will appear after each model in the save output,
         * reset with the "set save hash" command */
        strcpy( save.chHashString , "###########################"  );
        /* save every one continuum point, set skip save command */
        save.ncSaveSkip = 1;
        /* flush file after every iteration - set save flush */
        save.lgFLUSH = false;
        for( i=0; i<LIMPUN; ++i )
        {
                save.lgHashEndIter[i] = true;
                /* set false for time dependent calculations*/
                save.lg_separate_iterations[i] = true;
                save.lgSaveEveryZone[i] = false;
                save.nSaveEveryZone[i] = -1;
                save.emisfreq[i].set( -1. );
                save.ipEmisFreq[i] = -1;
        }

        /* default is to conserve energy, reset with
         * set save line width / resolution command */
        save.Resolution = realnum(-1.);
        save.ResolutionAbs = realnum(-1.);

        /* punch dominant rates variables */
        for( long i=0; i<LIMPUN; i++ )
                strcpy( save.chSpeciesDominantRates[i], "" );

        /* default no printing of optical depths, TooFaint is .1 */
        prt.lgPrtTau = false;
        prt.PrtTauFnt = 0.1f;
        prt.lgPrtShort = false;
        prt.TooFaint = 1e-3f;
        prt.lgFaintOn = true;
        prt.lgFntSet = false;
        prt.lgPrnLineCell = false;
        prt.nPrnLineCell = -1000;
        prt.lgPrtCitations = false;

        /* change angle of illumination 
        * this is angle away from the normal, so 0 is a normal ray, the default*/
        geometry.DirectionalCosin = 1.;
        geometry.size = 1.f;
        geometry.lgSizeSet = false;
        geometry.covaper = -1.f;

        /* if true then print main block of lines as array,
         * set false with print lines column, will then
         * do a single column of lines */
        prt.lgPrtLineArray = true;

        /* when printing a column this is option to print linear rather than log */
        prt.lgPrtLineLog = true;

        /* print ages */
        prt.lgPrnAges = false;

        /* print column densities */
        prt.lgPrintColumns = true;

        /* option to sort lines by wavelength, print sort command */
        prt.lgSortLines = false;

        prt.lgPrtMaser = false;
        prt.lgPrintTime = true;

        prt.lgPrtContIndices = false;
        prt.lgPrnPump = false;
        prt.lgPrnInwd = false;
        prt.lgPrnColl = false;
        prt.lgPrnHeat = false;
        /* >>chng 00 dec 08, these determine the standard items included in "nFnu", PvH */
        prt.lgSourceReflected = true;
        prt.lgSourceTransmitted = false;
        prt.lgDiffuseInward = true;
        prt.lgDiffuseOutward = true;
        prt.lgPrtLastIt = false;
        prt.lgOnlyZone = false;
        prt.lgOnlyHead = false;
        prt.lgPrtStart = false;
        prt.nstart = 0;
        /* print predictions from collapsed levels of iso sequences */
        prt.lgPrnIsoCollapsed = false;

        /* turn off printing of heating agents */
        prt.lgPrintHeating = false;

        /* flag saying to print all matrix elements for ionization balance 
         * set with PRINT ARRAYS command */
        for( nelem=ipHYDROGEN; nelem<LIMELM; ++nelem )
        {
                prt.lgPrtArry[nelem] = false;
        }

        /* print line flux at earth */
        prt.lgPrintFluxEarth = false;

        /* print line surface brightness, def sr, option arcsec */
        prt.lgSurfaceBrightness = false;
        prt.lgSurfaceBrightness_SR = true;

        /* print line cumulative sets true, print integrated line intensity over
         * time in temp dependent simulation */
        prt.lgPrintLineCumulative = false;

        prt.nzdump = -100;

        trace.lgSecIon = false;
        trace.lgTrOvrd = true;
        trace.lgOpacBug = false;
        trace.nTrConvg = 0;
        trace.lgTr8446 = false;
        trace.lgTrLevN = false;
        trace.lgTrGant = false;
        trace.lgOptcBug = false;
        trace.lgTrace3Bod = false;
        trace.lgOTSBug = false;
        trace.lgESOURCE = false;
        trace.lgTraceMole = false;
        trace.lgHeatBug = false;
        trace.lgHeavyBug = false;
        trace.lgBug2nu = false;
        trace.lgDrBug = false;
        trace.lgWind = false;
        trace.lgPtrace = false;
        trace.lgDrv_cdLine = false;
        trace.lgDustBug = false;
        trace.lgComBug = false;
        trace.lgHeBug = false;
        trace.lgCarBug = false;
        trace.lgCalBug = false;
        trace.lgConBug = false;
        trace.lgNeBug = false;
        trace.lgFeBug = false;
        trace.lgHBug = false;
        trace.lgTrLine = false;
        trace.nznbug = 10000;
        trace.npsbug = 10000;
        trace.lgTrace = false;
        trace.lgPointBug = false;
        trace.lgNeonBug = false;
        trace.lgCoolTr = false;
        trace.lgTrDiff = false;
        for( ipISO=ipH_LIKE; ipISO<NISO; ++ipISO )
                trace.lgIsoTraceFull[ipISO] = false;

        /* variables used in stop ... command */

        /* various criteria for stopping model */
        /* >>chng 04 dec 21, remove from here and init to 1e30 in zero */
        /*StopCalc.tauend = 0.;*/
        StopCalc.tauend = 1e30f;

        /* >>chng 05 nov 22 - NPA.  Stop calculation when fraction of oxygen frozen
        * out on grains ices gets too high - formation of ices */
        /*StopCalc.StopDepleteFrac = 0.99f;*/
        /* >>chng 05 dec 16, with revised ion solver logic, code should be able to
        * converge away from situation where ices have disturbed the chemistry and
        * net negative atomic abundances result.  now we say solution not converged and
        * soldier on 
        * this test should not be necessary */
        StopCalc.StopDepleteFrac = 1.02f;

        StopCalc.xMass = 0.;
        StopCalc.taunu = 0.;
        StopCalc.iptnu = -1;
        /* stopping AV */
        StopCalc.AV_extended = 1e30f;
        StopCalc.AV_point = 1e30f;
        /* highest allowed temperature */
        StopCalc.TempHiStopZone = (realnum)phycon.TEMP_LIMIT_HIGH;
        StopCalc.TempHiStopIteration = (realnum)phycon.TEMP_LIMIT_HIGH;

        /* the floor sets a limit to the temperature in the calculation -
        * if te falls below this, we do a constant temperature cloud at
        * this temperature */
        StopCalc.TeFloor = 0.;

        /* stop zone calculations when Te falls below this,
         * TEMP_STOP_DEFAULT in cddefines.h and is 4000 */
        StopCalc.TempLoStopZone = (realnum)phycon.TEMP_STOP_DEFAULT;
        /* stop iterations, used to stop time dependent command */
        StopCalc.TempLoStopIteration = -1.;

        /* ending column densities */
        StopCalc.HColStop = COLUMN_INIT;
        StopCalc.colpls = COLUMN_INIT;
        StopCalc.colnut = COLUMN_INIT;
        StopCalc.col_h2 = COLUMN_INIT;
        StopCalc.col_h2_nut = COLUMN_INIT;
        StopCalc.col_H0_ov_Tspin = COLUMN_INIT;
        StopCalc.col_monoxco = COLUMN_INIT;

        StopCalc.lgStopSpeciesColumn = false;
        StopCalc.chSpeciesColumn[0] = '\0';
        StopCalc.col_species = COLUMN_INIT;

        /* stopping electron density */
        StopCalc.StopElecDensity = -COLUMN_INIT;

        /* stopping electron and molecular fractions */
        StopCalc.StopElecFrac = -FLT_MAX;
        StopCalc.StopHPlusFrac = -FLT_MAX;
        /* stopping molecular fraction has opposite sign - want to stop when 2H_2/NH gt this */
        StopCalc.StopH2MoleFrac = FLT_MAX;
        /* this flag says that 21cm line optical depth is the stop quantity */
        StopCalc.lgStop21cm = false;
        /* debugging aid - stop when conv.nTotalIoniz reaches this value */
        StopCalc.nTotalIonizStop = 0;
        /* stop when absolute value of velocity falls below this */
        StopCalc.StopVelocity = 0.;
        /* number of stop line commands entered */
        StopCalc.nstpl = 0;

        /* initialize some variables for the optimizer */
        optimize.nIterOptim = 400;
        optimize.OptGlobalErr = 0.10f;
        optimize.nEmergent.clear();
        optimize.chLineLabel.clear();
        optimize.wavelength.clear();
        optimize.errorwave.clear();
        optimize.ipobs.clear();
        optimize.xLineInt_Obs.clear(); 
        optimize.xLineInt_error.clear();        
        optimize.chTempLab.clear();
        optimize.ionTemp.clear();
        optimize.temp_obs.clear(); 
        optimize.temp_error.clear();
        optimize.chTempWeight.clear();
        optimize.chColDen_label.clear();
        optimize.ion_ColDen.clear();
        optimize.ColDen_Obs.clear();
        optimize.ColDen_error.clear();
        optimize.ContIndex.clear();
        optimize.ContEner.clear();
        optimize.ContNFnu.clear();
        optimize.ContNFnuErr.clear();
        optimize.nRangeSet = 0;
        strcpy( optimize.chOptRtn, "PHYM" );

        /* flags says what is to be matched */
        optimize.lgOptLum = false;
        optimize.lgOptDiam = false;
        optimize.lgOptimize = false;

        /* trace flag for optimization process */
        optimize.lgTrOpt = false;

        optimize.lgOptimFlow = false;
        optimize.optint = 0.;
        optimize.optier = 0.;
#       if defined(__unix) || defined(__APPLE__)
        optimize.lgParallel = !cpu.i().lgMPISingleRankMode();
#       else
        optimize.lgParallel = false;
#       endif
        if( optimize.lgParallel )
                optimize.useCPU = cpu.i().nCPU();
        else
                optimize.useCPU = 1;
        optimize.lgOptCont = false;

        /* the fudge factors command */
        fudgec.nfudge = 0;
        fudgec.lgFudgeUsed = false;
        for( i=0; i < NFUDGC; i++ )
                fudgec.fudgea[i] = 0.;

        EmLineZero( DummyEmis );
        TauZero( DummyEmis );
        DummyEmis.iRedisFun() = 0;
        DummyEmis.ipFine() = -1;
        DummyEmis.gf() = 0.;
        DummyEmis.damp() = 0.;
        DummyEmis.dampXvel() = 0.;
        DummyEmis.opacity() = 0.;
        DummyEmis.Aul() = 1e-30f;

        /* parameters dealing with printer plots */
        for( i=0; i < NDPLOT; i++ )
        {
                plotCom.lgPltTrace[i] = false;
        }

        /* this says what types of printer plots we will make */
        for( i=0; i < NDPLOT; i++ )
        {
                strcpy( plotCom.chPType[i], "NONE" );
        }
        plotCom.lgPlotON = false;

        /* following were block data logic */
        rt.lgStarkON = true;

        /* by default use Federman form of shielding function */
        rt.nLineContShield = LINE_CONT_SHIELD_FEDERMAN;

        /* parameters set with Case A and Case B commands */
        /* this is flag for turning on case b */
        opac.lgCaseB = false;

        /* this is separate flag for turning off collisions from n=2 */
        opac.lgCaseB_HummerStorey = false;

        /* this is separate flag for turning off excited state photoionization */
        opac.lgCaseB_no_photo = false;
        /* another case b option, turn off background opacities, no Pdest */
        opac.lgCaseB_no_pdest = false;

        /* smallest allowed line and Lya optical depths, reset with
        * Case B command */
        opac.tlamin = 1e-20f;

        /* taumin command minimum optical depths for lines default 1e-20 */
        opac.taumin = 1e-20f;

        /* set false with no induced processes */
        rfield.lgInducProcess = true;

        /* this flag says that CMB has been set */
        rfield.lgCMB_set = false;
        
        rfield.lgComptonOn = true;

        for( i=0; i < LIMSPC; i++ )
        {
                /* this is set true if particular continuum source can vary with time 
                * set true if TIME appears on intensity / luminosity command line */
                rfield.lgTimeVary[i] = false;
                /* most continua enter as a beam rather than isotropic */
                rfield.lgBeamed[i] = true;
                // default is radiation from the "illuminated" face
                rfield.Illumination[i] = Illuminate::FORWARD;
                // optical depth = normal optical depth * this scale factor,
                // is 1 / cos theta
                rfield.OpticalDepthScaleFactor[i] = 1.;
                /* default energy range is H-ionizing radiation */
                rfield.range[i][0] = HIONPOT;
                rfield.range[i][1] = rfield.egamry;
                rfield.RSFCheck[i] = 0.;
        }

        /* line overlap opacity, turn off with no fine opacity command */
        rfield.lgOpacityFine = true;

        /* lower and upper wavelength bounds, Angstroms, for the FeII continuum */
        FeII.feconwlLo = 1000.;
        FeII.feconwlHi = 7000.;
        FeII.nfe2con = 1000;

        /* this is the faintest the high-energy tail of the continuum be */
        rfield.FluxFaint = 1e-10f;

        /* >>chng 01 jul 26, moved next statement from below loop to avoid bug in gcc 2.95.3, PvH */
        /* default diffuse fields is outward only */
        strcpy( rfield.chDffTrns, "OU2" );
        rfield.lgOutOnly = true;

        /* flags for whether continuum is defined over all energies */
        rfield.lgMMok = true;
        rfield.lgHPhtOK = true;
        rfield.lgXRayOK = true;
        rfield.lgGamrOK = true;

        for( rfield.ipSpec=0; rfield.ipSpec < LIMSPC; rfield.ipSpec++ )
        {
                if( rfield.lgContMalloc[rfield.ipSpec] )
                {
                        rfield.tNu[rfield.ipSpec].clear();
                        rfield.tslop[rfield.ipSpec].clear();
                        rfield.tFluxLog[rfield.ipSpec].clear();
                        rfield.lgContMalloc[rfield.ipSpec] = false;
                }
        }

        grid.lgNegativeIncrements = false;
        grid.lgSaveXspec = false;

        return;
}